REMARK Name = BDB063137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.775 0.976 1.959 0.00 0.00 +0.055 A ATOM 2 C LIG 1 0.279 0.389 2.635 0.00 0.00 +0.126 A ATOM 3 N LIG 1 1.497 0.164 2.080 0.00 0.00 -0.239 NA ATOM 4 C LIG 1 1.708 0.566 0.804 0.00 0.00 +0.125 A ATOM 5 C LIG 1 0.702 1.197 0.077 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.550 1.411 0.659 0.00 0.00 +0.018 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -2.018 1.664 3.787 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.056 1.177 2.660 0.00 0.00 +0.248 C ATOM 9 N LIG 1 -3.241 0.814 2.030 0.00 0.00 -0.294 N ATOM 10 C LIG 1 -4.503 1.115 2.709 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -5.711 1.142 1.757 0.00 0.00 +0.124 C ATOM 12 N LIG 1 -5.820 -0.098 0.964 0.00 0.00 -0.327 N ATOM 13 C LIG 1 -4.620 -0.941 0.868 0.00 0.00 +0.124 C ATOM 14 C LIG 1 -3.335 -0.088 0.872 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 -7.061 -0.548 0.535 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -8.130 0.340 0.318 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -9.385 -0.099 -0.120 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -9.607 -1.449 -0.358 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -8.572 -2.353 -0.158 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.319 -1.904 0.280 0.00 0.00 +0.023 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 N LIG 1 2.974 0.301 0.316 0.00 0.00 -0.268 N ATOM 22 H LIG 1 3.565 -0.152 0.996 0.00 0.00 +0.156 HD BRANCH 21 23 ATOM 23 C LIG 1 3.620 0.509 -0.887 0.00 0.00 +0.221 A ATOM 24 N LIG 1 4.897 0.089 -0.934 0.00 0.00 -0.211 NA ATOM 25 C LIG 1 5.601 0.253 -2.086 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.027 0.847 -3.191 0.00 0.00 +0.167 A ATOM 27 F LIG 1 5.684 1.052 -4.339 0.00 0.00 -0.202 F ATOM 28 C LIG 1 3.723 1.247 -3.058 0.00 0.00 +0.155 A ATOM 29 N LIG 1 3.004 1.087 -1.929 0.00 0.00 -0.220 NA BRANCH 25 30 ATOM 30 C LIG 1 6.995 -0.241 -2.047 0.00 0.00 +0.005 A ATOM 31 C LIG 1 7.732 -0.193 -0.845 0.00 0.00 +0.039 A ATOM 32 C LIG 1 9.062 -0.657 -0.776 0.00 0.00 +0.079 A ATOM 33 C LIG 1 9.649 -1.179 -1.929 0.00 0.00 +0.039 A ATOM 34 S LIG 1 11.261 -1.668 -1.568 0.00 0.00 -0.075 S ATOM 35 C LIG 1 11.044 -1.153 0.050 0.00 0.00 +0.157 A ATOM 36 C LIG 1 8.950 -1.254 -3.141 0.00 0.00 +0.018 A ATOM 37 N LIG 1 9.871 -0.646 0.349 0.00 0.00 -0.247 NA ATOM 38 C LIG 1 7.630 -0.783 -3.176 0.00 0.00 +0.011 A ENDBRANCH 25 30 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 5